Download or read book Algebraic Methods in Quantum Chemistry and Physics written by Francisco M. Fernandez and published by CRC Press. This book was released on 2020-01-16 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Algebraic Methods in Quantum Chemistry and Physics provides straightforward presentations of selected topics in theoretical chemistry and physics, including Lie algebras and their applications, harmonic oscillators, bilinear oscillators, perturbation theory, numerical solutions of the Schrödinger equation, and parameterizations of the time-evolution operator. The mathematical tools described in this book are presented in a manner that clearly illustrates their application to problems arising in theoretical chemistry and physics. The application techniques are carefully explained with step-by-step instructions that are easy to follow, and the results are organized to facilitate both manual and numerical calculations. Algebraic Methods in Quantum Chemistry and Physics demonstrates how to obtain useful analytical results with elementary algebra and calculus and an understanding of basic quantum chemistry and physics.
Download or read book Geometric And Algebraic Topological Methods In Quantum Mechanics written by Luigi Mangiarotti and published by World Scientific. This book was released on 2005-01-27 with total page 715 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the last decade, the development of new ideas in quantum theory, including geometric and deformation quantization, the non-Abelian Berry's geometric factor, super- and BRST symmetries, non-commutativity, has called into play the geometric techniques based on the deep interplay between algebra, differential geometry and topology. The book aims at being a guide to advanced differential geometric and topological methods in quantum mechanics. Their main peculiarity lies in the fact that geometry in quantum theory speaks mainly the algebraic language of rings, modules, sheaves and categories. Geometry is by no means the primary scope of the book, but it underlies many ideas in modern quantum physics and provides the most advanced schemes of quantization.
Download or read book Mathematical Models and Methods for Ab Initio Quantum Chemistry written by M. Defranceschi and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.
Download or read book Elementary Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by Elsevier. This book was released on 2006-12-20 with total page 748 pages. Available in PDF, EPUB and Kindle. Book excerpt: Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulson’s Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny’s Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter. * Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader * Provides educational training in basic methodology
Download or read book Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by John Wiley & Sons. This book was released on 2009-12-21 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Download or read book Factorization Method in Quantum Mechanics written by Shi-Hai Dong and published by Springer Science & Business Media. This book was released on 2007-04-01 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces the factorization method in quantum mechanics at an advanced level, with the aim of putting mathematical and physical concepts and techniques like the factorization method, Lie algebras, matrix elements and quantum control at the reader’s disposal. For this purpose, the text provides a comprehensive description of the factorization method and its wide applications in quantum mechanics which complements the traditional coverage found in quantum mechanics textbooks.
Download or read book Algebraic Approach to Simple Quantum Systems written by Barry G. Adams and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the use of algebraic methods and sym bolic computation for simple quantum systems with applications to large order perturbation theory. It is the first book to integrate Lie algebras, algebraic perturbation theory and symbolic computation in a form suitable for students and researchers in theoretical and computational chemistry and is conveniently divided into two parts. The first part, Chapters 1 to 6, provides a pedagogical introduction to the important Lie algebras so(3), so(2,1), so(4) and so(4,2) needed for the study of simple quantum systems such as the D-dimensional hydrogen atom and harmonic oscillator. This material is suitable for advanced undergraduate and beginning graduate students. Of particular importance is the use of so(2,1) in Chapter 4 as a spectrum generating algebra for several important systems such as the non-relativistic hydrogen atom and the relativistic Klein-Gordon and Dirac equations. This approach provides an interesting and important alternative to the usual textbook approach using series solutions of differential equations.
Download or read book Ab Initio Methods in Quantum Chemistry Volume 67 Part 1 written by K. P. Lawley and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Algebraic and Diagrammatic Methods in Many Fermion Theory written by Frank E. Harris and published by Courier Dover Publications. This book was released on 2020-01-15 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text on the use of electron correlation effects in the description of the electronic structure of atoms, molecules, and crystals is intended for graduate students in physical chemistry and physics. Modern theories of electronic structure and methods of incorporating electron correlation contributions are developed using a diagrammatic and algebraic formulation, and the methods developed in the text are illustrated with examples from molecular and solid state quantum mechanics. A brief Introduction is followed by chapters on operator algebra, the independent-particle model, occupation-number formalism, and diagrams. Additional topics include the configuration-interaction method, the many-body perturbation theory, and the coupled-cluster method.
Download or read book Cour imp rial de Colmar Proc s verbal de l installation de Monsieur Thiriot en qualit de procureur g n ral imp rial Audience solonnelle sic du 5 Mars 1870 written by and published by . This book was released on 1870 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Numerical Quantum Dynamics written by W. Schweizer and published by Springer Science & Business Media. This book was released on 2005-12-27 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is an indisputable fact that computational physics form part of the essential landscape of physical science and physical education. When writing such a book, one is faced with numerous decisions, e. g. : Which topics should be included? What should be assumed about the readers’ prior knowledge? How should balance be achieved between numerical theory and physical application? This book is not elementary. The reader should have a background in qu- tum physics and computing. On the other way the topics discussed are not addressed to the specialist. This work bridges hopefully the gap between - vanced students, graduates and researchers looking for computational ideas beyond their fence and the specialist working on a special topic. Many imp- tant topics and applications are not considered in this book. The selection is of course a personal one and by no way exhaustive and the material presented obviously reflects my own interest. What is Computational Physics? During the past two decades computational physics became the third fun- mental physical discipline. Like the ‘traditional partners’ experimental physics and theoretical physics, computational physics is not restricted to a special area, e. g. , atomic physics or solid state physics. Computational physics is a meth- ical ansatz useful in all subareas and not necessarily restricted to physics. Of course this methods are related to computational aspects, which means nume- cal and algebraic methods, but also the interpretation and visualization of huge amounts of data.
Download or read book Frontiers in Quantum Systems in Chemistry and Physics written by P.J. Grout and published by Springer Science & Business Media. This book was released on 2008-09-12 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.
Download or read book Mathematical Methods in Quantum Mechanics written by Gerald Teschl and published by American Mathematical Soc.. This book was released on 2009 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanics and the theory of operators on Hilbert space have been deeply linked since their beginnings in the early twentieth century. States of a quantum system correspond to certain elements of the configuration space and observables correspond to certain operators on the space. This book is a brief, but self-contained, introduction to the mathematical methods of quantum mechanics, with a view towards applications to Schrodinger operators. Part 1 of the book is a concise introduction to the spectral theory of unbounded operators. Only those topics that will be needed for later applications are covered. The spectral theorem is a central topic in this approach and is introduced at an early stage. Part 2 starts with the free Schrodinger equation and computes the free resolvent and time evolution. Position, momentum, and angular momentum are discussed via algebraic methods. Various mathematical methods are developed, which are then used to compute the spectrum of the hydrogen atom. Further topics include the nondegeneracy of the ground state, spectra of atoms, and scattering theory. This book serves as a self-contained introduction to spectral theory of unbounded operators in Hilbert space with full proofs and minimal prerequisites: Only a solid knowledge of advanced calculus and a one-semester introduction to complex analysis are required. In particular, no functional analysis and no Lebesgue integration theory are assumed. It develops the mathematical tools necessary to prove some key results in nonrelativistic quantum mechanics. Mathematical Methods in Quantum Mechanics is intended for beginning graduate students in both mathematics and physics and provides a solid foundation for reading more advanced books and current research literature. It is well suited for self-study and includes numerous exercises (many with hints).
Download or read book Methods in Computational Molecular Physics written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny's Methods 0/ Molecular Quantum Mechanics (Academic Press, London, 1989) or Wilson's Electron correlation in moleeules (Clarendon Press, Oxford, 1984) and the realization of the sophisticated computational algorithms required for their practical application. It sought to underline the relation between the electronic structure problem and the study of nuc1ear motion. Software for performing molecular electronic structure calculations is now being applied in an increasingly wide range of fields in both the academic and the commercial sectors. Numerous applications are reported in areas as diverse as catalysis and interstellar chernistry, drug design and environmental studies, molecular biology and solid state physics. The range of applications continues to increase as scientists recognize the importance of molecular structure studies to their research activities. Recent years have seen a growing dependence of these applications on program packages, which are often not in the public domain and which may have a somewhat lirnited range of applicability dicta ted by the particular interests and prejudices of the program author.
Download or read book Mathematics for Quantum Chemistry written by Jay Martin Anderson and published by Courier Corporation. This book was released on 2005-02-11 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
Download or read book Elementary Molecular Quantum Mechanics written by Valerio Magnasco and published by Elsevier. This book was released on 2013-08-07 with total page 1012 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of Elementary Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulson’s Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny’s Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter. Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics Simplifies all mathematical formulae for the reader Provides educational training in basic methodology
Download or read book Fractals Quasicrystals Chaos Knots and Algebraic Quantum Mechanics written by Anton Amann and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: At the end of the workshop on "New Theoretical Concepts in Physical Chemistry", one of the participants made an attempt to present a first impression of its achievements from his own personal standpoint. Appar ently his views reflected a general feeling, so that the organizers thought they would be suitable as a presentation of the proceedings for future readers. That is the background from which this foreword was born. The scope of the workshop is a very broad one. There are contribu tions from mathematics, physics, crystallography, chemistry and biology; the problems are approached either by means of axiomatic and rigorous methods, or at an empirical phenomenological level. This same diversifi cation can be found in the new basic concepts presented. Some arise from pure theoretical investigation in C*-algebra or in quantum probability theory; others from an analysis of very complex experimental data like nuclear energy levels, or processes on the frontier between classical and quantum physics; others again have their origin in the discovery of new ordered structures like the icosahedral crystal phases, or the knots of DNA molecules; others follow from the application of ideas like frac tals or chaos to new fields like spectral theory or chemical reactions. It is to be expected that readers will have to face the same sort of difficulties as did the participants in understanding such diverse languages, in applying themselves to subjects possibly far from their own experience, and in grasping highly sophisticated new concepts.
